Chlorfenac
fo-307079fdf6bdc03a
Identity
- Type
- Neutral molecule
- CAS
- 85-34-7
- EC
- 201-599-3
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 58 across every transformer
Structure
What it is used for
4
Roles, not types. A substance bears as many as apply — sulfluramid is an
insecticide and an acaricide — and each is a class ChEBI curates, asserted
with ChEBI’s own has role. The narrow ones publish the broad
ones alongside them, so a substance filed as a herbicide is a pesticide
here too. See agricultural
chemicals for what the axis is and which classes are published.
| Role | Definition | Evidence |
|---|---|---|
| agrochemical CHEBI:33286 | An agrochemical is a substance that is used in agriculture or horticulture. | ChEBI |
| herbicide CHEBI:24527 | A substance used to destroy plant pests. | ChEBI |
| pesticide CHEBI:25944 | Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests. | ChEBI |
| plant growth regulator CHEBI:26155 | A chemical, natural or artificial, that can affect the rate of growth of a plant. | ChEBI |
Alternative labels
11- (2,3,6-trichlorophenyl)acetic acid
- 2,3,6-TCA
- 2,3,6-trichlorobenzeneacetic acid
- 2,3,6-Trichlorophenylacetic acid
- 2,3,6-Trichlorphenylessigsaeure
- 2-(2,3,6-Trichlorophenyl)acetic acid
- Acetic acid, (2,3,6-trichlorophenyl)-
- Benzeneacetic acid, 2,3,6-trichloro-
- fenac
- Fenatrol
- TCPA
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | QZXCCPZJCKEPSA-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C8H5Cl3O2/c9-5-1-2-6(10)8(11)4(5)3-7(12)13/h1-2H,3H2,(H,12,13) |
| IUPAC name chemrof:IUPAC_name | (2,3,6-trichlorophenyl)acetic acid |
| Molecular formula chemrof:molecular_formula | C8H5Cl3O2 |
| Molecular mass chemrof:molecular_mass | 239.485 |
| Monoisotopic mass chemrof:monoisotopic_mass | 237.93551, 237.935512 |
| SMILES string chemrof:smiles_string | O=C(O)Cc1c(Cl)ccc(Cl)c1Cl |
Known URLs
14Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.
| Resource | URL | Recorded by |
|---|---|---|
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=85-34-7 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:82235 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.001.454 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID2040284 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=41931 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1895774 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/8SOV3EP1QG | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J4.916F | enrich_references.pubchem_identifier_url |
| KEGG | https://www.genome.jp/entry/C19114 | enrich_references.chebi_xrefs |
| kegg.jp | https://www.kegg.jp/entry/C19114 | enrich_references.pubchem_identifier_url |
| pesticides | pesticides:chlorfenac | enrich_references.chebi_xrefs |
| ppdb | ppdb:1194 | enrich_references.chebi_xrefs |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/6805 | enrich_references.pubchem_compound |
| Wikidata | https://www.wikidata.org/wiki/Q27155828 | enrich_references.pubchem_identifier_url |
Elementary flows
14| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| ec0a535f-0506-483a-a7e6-1d663793b15a | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 2 |
| 62cd76f6-cea5-4060-bbc6-4f9939a21c68 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 2 |
| 7d7263e1-5971-4c8d-8689-2d62da4521e9 | Environmental → Air → Indoor | EF 3.1 | kg | 2 |
| c6f1532b-5704-402a-845e-42d8b01e681f | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 42e4f838-3b5d-4b84-8f57-bd70c2857df2 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 2 |
| 897a32b8-aa75-43ad-80a7-6c56709f31ae | Environmental → Air → Unknown | EF 3.1 | kg | 2 |
| 71472d4c-232d-4a0a-a661-a86ccb55edc2 | Environmental → Ground → Agricultural | EF 3.1 | kg | 2 |
| 24fba4ce-2d35-4a3f-86b9-9c2b0fe215a7 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 2 |
| 4eff3be04f1a7980f5af56c29b2c2a57695d984b | Environmental → Ground → Silvicultural | ecoinvent algorithm addition | kg | 0 |
| 6d3cae49-cbc3-41a7-906e-1ad2ea94d7e9 | Environmental → Ground → Unknown | EF 3.1 | kg | 2 |
| d567b26b-df58-46d0-8dbf-a41244444932 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 136865e3-b828-42cb-86b4-2f111cbb8bd9 | Environmental → Water → Ocean | EF 3.1 | kg | 2 |
| eeb8c2d4-6e16-4124-9b52-dc0a6e7c58a1 | Environmental → Water → Surface water | EF 3.1 | kg | 2 |
| c03de163-03ef-4384-9f04-4b7285d4bb01 | Environmental → Water → Unknown | EF 3.1 | kg | 2 |
History
Everything that changed this substance (58 changes)
Full record
Flow object JSON
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Something wrong here?
- This substance is published under the wrong name
- This is not that chemical
- This record is two substances, or it is a second copy of one
You do not need to run a build or clone anything. Name the record and say what your evidence is; the measurement is done for you. How contributing works